Molecule ID: mol31670
SMILES: NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O
InChI: InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.17 | OCHEM | 1 » 0 |
| 2.17 | QSARToolbox | 1 » 0 |
| 2.17 | QSARToolbox | 1 » 0 |
| 6.45 | QSARToolbox | 0 » -1 |